Final Report US Department of Energy DE-FG02-99ER45797

Srolovitz, David J ; Haataja, Mikko

关键词: grain boundary dynamics;    molecular dynamics simulations;   

DOI  :  10.2172/1063755
RP-ID  :  DOE-99ER45797-1
PID  :  OSTI ID: 1063755

学科分类：材料科学（综合）

美国|英语

来源: SciTech Connect

【 摘 要 】

This grant focused on atomistic studies of the dynamics of grain boundaries in metals performed largely using molecular dynamics simulations. One of the foci of this period was on the appropriate thermodynamics in particular the grain boundary stiffness. We worked with a group of researchers at Carnegie Mellon University to make a comparison between grain growth simulations using our grain boundary thermodynamics data and experiments. A separate focus of the supported research looked at shear-driven grain boundary migration. The major focus of our work during this grant was a detailed consideration of the atomic mechanisms associated with grain boundary migration.